SCHEMBL1132385

SCHEMBL1132385

C(c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
TSHR P16473 2/20 0.39
MAOB P27338 2/20 0.39
CYP2A6 P11509 1/20 0.39
LMNA P02545 3/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
FBP1 P09467 2/20 0.34
ALOX15 P16050 1/20 0.34
NFE2L2 Q16236 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAOA P21397 1/20 0.33
TRPA1 O75762 1/20 0.33
ALOX5 P09917 1/20 0.33
MAPK1 P28482 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Benzaldehyde SCHEMBL6051056 0.89 ALDH1A1 (0.61) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL9539397 0.85 ALDH1A1 (0.41) ALDH1A1LMNAHSP90AA1L3MBTL1MAPK1
SCHEMBL9541494 0.84 NFE2L2 (0.52) ALDH1A1TSHRFBP1ALOX15NFE2L2
SCHEMBL14269409 0.84 ALDH1A1 (0.42) ALDH1A1MAOBCYP2A6LMNAHSP90AA1
SCHEMBL9538596 0.84 LMNA (0.42) ALDH1A1TSHRCYP2A6LMNAFBP1
SCHEMBL24193844 0.84 ESR1 (0.50) ALDH1A1HSP90AA1CA2CA4CA5A
SCHEMBL9541503 0.84 TSHR (0.42) TSHRMAOBCYP2A6LMNAFBP1
SCHEMBL14454720 0.82 CA1 (0.47) ALDH1A1TSHRHSP90AA1CA2FBP1
SCHEMBL9735648 0.80 NFE2L2 (0.34) ALDH1A1TSHRMAOBCYP2A6HSP90AA1
SCHEMBL14423637 0.80 LTA4H (0.48) ALDH1A1TSHRLMNAL3MBTL1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 77 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3970579-A Low melting liquid-crystal mixtures OWENS-ILLINOIS, INC. (US) 1976-07-20 US claimed
CN-119504875-A Synthetic method of ruthenium carbene complex 江苏虹景新材料有限公司 2025-02-25 CN disclosed
CN-105439901-B Preparation method of 2-cyano-4'-methyl biphenyl 浙江大学 2017-04-12 CN disclosed
US-20130084561-A1 BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY COULL JAMES M (US) 2013-04-04 US disclosed
US-20130084561-A1 BIODETECTION BY NUCLEIC ACID-TEMPLATED CHEMISTRY COULL JAMES M (US) 2013-04-04 US disclosed
US-8158631-B2 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC (US) 2012-04-17 US disclosed
CN-101979392-A 7-arylethylene substituted high camptothecin compound and application thereof as medicament UNIV PLA 2ND MILITARY MEDICAL 2011-02-23 CN disclosed
EP-1340762-B1 Cephalosporin synthesis SANDOZ AG (CH) 2011-02-16 EP disclosed
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS CHIN ELBERT 2010-12-30 US disclosed
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 US disclosed
EP-0400972-A2 Fluorescent degree of cure monitors MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1990-12-05 EP disclosed
US-4808572-A ANTIALLERGENS CIBA-GEIGY CORPORATION (US) 1989-02-28 US disclosed
US-4785004-A ANTIALLERGENS, ANTIHISTAMINES CIBA-GEIGY CORPORATION (US) 1988-11-15 US disclosed
US-4533657-A Analgesic dipeptide amides and method of use and composition thereof STERLING DRUG INC. (US) 1985-08-06 US disclosed
US-4346101-A NON-SEDATING THE UPJOHN COMPANY (US) 1982-08-24 US disclosed
US-4310716-A NICKEL YLIDE CATALYST GULF RESEARCH & DEVELOPMENT COMPANY (US) 1982-01-12 US disclosed
US-4127455-A Manufacture of symmetrical carotenoids BASF AKTIENGESELLSCHAFT (DE) 1978-11-28 US disclosed
US-4105855-A Manufacture of symmetrical carotenoids BASF AKTIENGESELLSCHAFT (DE) 1978-08-08 US disclosed
US-4065620-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-27 US disclosed
US-3970579-A Low melting liquid-crystal mixtures OWENS-ILLINOIS, INC. (US) 1976-07-20 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100330032-A1 HETEROCYCLIC ANTIVIRAL COMPOUNDS EIF2AK2, HCCS, RTF2 ALDH1A1 597/4885TSHR 2301/4885MAOB 791/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 ALDH1A1 910/4885TSHR 89/4885MAOB 36/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.